4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide

C18H27N5O2 — CID 46375439

IUPAC4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)NCCCOC)CC2)nc2ccccc21
InChIInChI=1S/C18H27N5O2/c1-3-23-16-8-5-4-7-15(16)20-17(23)21-10-12-22(13-11-21)18(24)19-9-6-14-25-2/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,19,24)
InChIKeyWCDQKCJLDVICQS-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.92
Rot. Bonds6

About 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide

4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 46375439) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID46375439
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)NCCCOC)CC2)nc2ccccc21
InChIInChI=1S/C18H27N5O2/c1-3-23-16-8-5-4-7-15(16)20-17(23)21-10-12-22(13-11-21)18(24)19-9-6-14-25-2/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,19,24)
InChIKeyWCDQKCJLDVICQS-UHFFFAOYSA-N
XLogP1.92
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide
CID 3733941
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
ethyl (3S)-3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879177
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205
N-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375452
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375593

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide (CID 46375439) is 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide is CCn1c(N2CCN(C(=O)NCCCOC)CC2)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is WCDQKCJLDVICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-23-16-8-5-4-7-15(16)20-17(23)21-10-12-22(13-11-21)18(24)19-9-6-14-25-2/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,19,24).
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 46375439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).