N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C30H29N5O2 — CID 50765543

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCCn1c(CCc2ccc(NC(=O)c3[nH]nc4c3CCc3cc(OC)ccc3-4)cc2)nc2ccccc21
InChIInChI=1S/C30H29N5O2/c1-3-35-26-7-5-4-6-25(26)32-27(35)17-10-19-8-12-21(13-9-19)31-30(36)29-24-15-11-20-18-22(37-2)14-16-23(20)28(24)33-34-29/h4-9,12-14,16,18H,3,10-11,15,17H2,1-2H3,(H,31,36)(H,33,34)
InChIKeyVSPNVYCOOKYXGB-UHFFFAOYSA-N
MW491.60 g/mol
LogP5.59
Rot. Bonds7

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 50765543) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID50765543
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCCn1c(CCc2ccc(NC(=O)c3[nH]nc4c3CCc3cc(OC)ccc3-4)cc2)nc2ccccc21
InChIInChI=1S/C30H29N5O2/c1-3-35-26-7-5-4-6-25(26)32-27(35)17-10-19-8-12-21(13-9-19)31-30(36)29-24-15-11-20-18-22(37-2)14-16-23(20)28(24)33-34-29/h4-9,12-14,16,18H,3,10-11,15,17H2,1-2H3,(H,31,36)(H,33,34)
InChIKeyVSPNVYCOOKYXGB-UHFFFAOYSA-N
XLogP5.59
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 46910493
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 46910494
N-[2-(3-methoxyphenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 46910495
N-[(2-methoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 70686409
[4-[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3H-benzimidazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 136325930
[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3H-benzimidazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 136387424
[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3H-benzimidazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 136387441
N-[2-(2,5-dimethoxyphenyl)ethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 46910581
N-[(4-methoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 70688502
N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 70688503
N-[(3-methoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 70690562
N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3-(1H-indazol-5-yl)-4-methoxybenzamide
CID 44406363

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 50765543) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is CCn1c(CCc2ccc(NC(=O)c3[nH]nc4c3CCc3cc(OC)ccc3-4)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is VSPNVYCOOKYXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-3-35-26-7-5-4-6-25(26)32-27(35)17-10-19-8-12-21(13-9-19)31-30(36)29-24-15-11-20-18-22(37-2)14-16-23(20)28(24)33-34-29/h4-9,12-14,16,18H,3,10-11,15,17H2,1-2H3,(H,31,36)(H,33,34).
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 50765543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).