cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate

C25H31N5O6 — CID 147998761

IUPACcyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
SMILESCOc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)oc3C)n(CCCNC(=O)OC3CCCC3)c12
InChIInChI=1S/C25H31N5O6/c1-14-11-18(15(2)35-14)23(32)29-24-28-19-12-16(22(26)31)13-20(34-3)21(19)30(24)10-6-9-27-25(33)36-17-7-4-5-8-17/h11-13,17H,4-10H2,1-3H3,(H2,26,31)(H,27,33)(H,28,29,32)
InChIKeyIWNCMWLJOHUDNH-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.66
Rot. Bonds9

About cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate

cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate (PubChem CID 147998761) has the molecular formula C25H31N5O6 and a molecular weight of 497.55 g/mol. Its IUPAC name is cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
PubChem CID147998761
Molecular FormulaC25H31N5O6
Molecular Weight497.55 g/mol
Exact Mass497.23
IUPAC Namecyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
SMILESCOc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)oc3C)n(CCCNC(=O)OC3CCCC3)c12
InChIInChI=1S/C25H31N5O6/c1-14-11-18(15(2)35-14)23(32)29-24-28-19-12-16(22(26)31)13-20(34-3)21(19)30(24)10-6-9-27-25(33)36-17-7-4-5-8-17/h11-13,17H,4-10H2,1-3H3,(H2,26,31)(H,27,33)(H,28,29,32)
InChIKeyIWNCMWLJOHUDNH-UHFFFAOYSA-N
XLogP3.66
TPSA150.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cycloheptyl N-[3-[5-(aminomethyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
CID 154949098
benzyl N-[3-[5-carbamoyl-7-methoxy-2-(quinoline-2-carbonylamino)benzimidazol-1-yl]propyl]carbamate
CID 155561476
2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
CID 147800185
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-[3-(phenylmethoxycarbonylamino)propyl]benzimidazole-5-carboxylate
CID 154941989
tert-butyl N-[3-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-propylbenzimidazol-4-yl]oxypropyl]carbamate
CID 155456512
3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl N-phenylcarbamate
CID 175550842
N-[1-[4-[7-(3-aminopropoxy)-5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-5-carbamoyl-7-methoxybenzimidazol-2-yl]-4-ethyl-2-methyl-1,3-oxazole-5-carboxamide
CID 175241291
1-(3-aminopropyl)-7-(cyclopropylmethoxy)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
CID 175550915
benzyl N-[3-[2-amino-5-carbamoyl-7-(3-methoxypropoxy)benzimidazol-1-yl]propyl]carbamate
CID 155797704
N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 172677053
benzyl N-[3-[5-carbamoyl-7-(3-methoxypropoxy)-2-(pyridazin-3-ylamino)benzimidazol-1-yl]propyl]carbamate
CID 175087666
(11S)-11-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-[3-[[2-(4-methoxypiperidin-1-yl)acetyl]amino]propoxy]benzimidazol-1-yl]propyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxamide
CID 146435702

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?
The IUPAC name of cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate (CID 147998761) is cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?
The canonical SMILES for cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate is COc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)oc3C)n(CCCNC(=O)OC3CCCC3)c12.
What is the InChIKey of cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?
The InChIKey is IWNCMWLJOHUDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O6/c1-14-11-18(15(2)35-14)23(32)29-24-28-19-12-16(22(26)31)13-20(34-3)21(19)30(24)10-6-9-27-25(33)36-17-7-4-5-8-17/h11-13,17H,4-10H2,1-3H3,(H2,26,31)(H,27,33)(H,28,29,32).
What are the key properties of cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?
cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate has a molecular weight of 497.55 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[3-[5-carbamoyl-2-[(2,5-dimethylfuran-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate is sourced from PubChem (CID 147998761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).