2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide

C30H32N6O — CID 10051346

IUPAC2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
SMILESCn1c(Cc2nc3c([nH]2)CC(CN)CC3)nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21
InChIInChI=1S/C30H32N6O/c1-36-27-16-22(30(37)32-14-13-21-7-4-6-20-5-2-3-8-23(20)21)10-12-25(27)35-29(36)17-28-33-24-11-9-19(18-31)15-26(24)34-28/h2-8,10,12,16,19H,9,11,13-15,17-18,31H2,1H3,(H,32,37)(H,33,34)
InChIKeyHAKZKUZTXPGYRU-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.08
Rot. Bonds7

About 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide

2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide (PubChem CID 10051346) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
PubChem CID10051346
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
SMILESCn1c(Cc2nc3c([nH]2)CC(CN)CC3)nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21
InChIInChI=1S/C30H32N6O/c1-36-27-16-22(30(37)32-14-13-21-7-4-6-20-5-2-3-8-23(20)21)10-12-25(27)35-29(36)17-28-33-24-11-9-19(18-31)15-26(24)34-28/h2-8,10,12,16,19H,9,11,13-15,17-18,31H2,1H3,(H,32,37)(H,33,34)
InChIKeyHAKZKUZTXPGYRU-UHFFFAOYSA-N
XLogP4.08
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
CID 10277990
2-[2-[[2-[(6-ethanimidoyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]ethoxy]benzoic acid
CID 10118558
2-[[6-(diaminomethylideneamino)-1H-benzimidazol-2-yl]methyl]-3-(2-hydroxypropyl)-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
CID 10303120
2-[1-[5-[3-(diaminomethylideneamino)propyl]-1H-imidazol-2-yl]ethyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
CID 102008564
2-[1-[6-(2-aminoimidazol-1-yl)-1H-benzimidazol-2-yl]ethyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
CID 18537931
(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
CID 82387272
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976708
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carboximidamide
CID 143149128
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535
N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066197

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide (CID 10051346) is 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide is Cn1c(Cc2nc3c([nH]2)CC(CN)CC3)nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21.
What is the InChIKey of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is HAKZKUZTXPGYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c1-36-27-16-22(30(37)32-14-13-21-7-4-6-20-5-2-3-8-23(20)21)10-12-25(27)35-29(36)17-28-33-24-11-9-19(18-31)15-26(24)34-28/h2-8,10,12,16,19H,9,11,13-15,17-18,31H2,1H3,(H,32,37)(H,33,34).
What are the key properties of 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide?
2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 10051346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).