N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide

C14H15N5O — CID 81257871

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)n1ccnc1
InChIInChI=1S/C14H15N5O/c1-11-17-12-4-2-3-5-13(12)19(11)9-7-16-14(20)18-8-6-15-10-18/h2-6,8,10H,7,9H2,1H3,(H,16,20)
InChIKeyQRJPOOLAWYLRAM-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.80
Rot. Bonds3

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide (PubChem CID 81257871) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide
PubChem CID81257871
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)n1ccnc1
InChIInChI=1S/C14H15N5O/c1-11-17-12-4-2-3-5-13(12)19(11)9-7-16-14(20)18-8-6-15-10-18/h2-6,8,10H,7,9H2,1H3,(H,16,20)
InChIKeyQRJPOOLAWYLRAM-UHFFFAOYSA-N
XLogP1.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 122141115
1-(2-imidazol-1-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111353120
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352474
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide (CID 81257871) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide is Cc1nc2ccccc2n1CCNC(=O)n1ccnc1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide?
The InChIKey is QRJPOOLAWYLRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-11-17-12-4-2-3-5-13(12)19(11)9-7-16-14(20)18-8-6-15-10-18/h2-6,8,10H,7,9H2,1H3,(H,16,20).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).