N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide

C15H19N3O — CID 131949916

IUPACN-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)C1CC1(C)C
InChIInChI=1S/C15H19N3O/c1-15(2)8-10(15)14(19)18(3)9-13-16-11-6-4-5-7-12(11)17-13/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyUMNZUCRKNFDCDK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 131949916) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID131949916
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)C1CC1(C)C
InChIInChI=1S/C15H19N3O/c1-15(2)8-10(15)14(19)18(3)9-13-16-11-6-4-5-7-12(11)17-13/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyUMNZUCRKNFDCDK-UHFFFAOYSA-N
XLogP2.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 110462326
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95767867
(3R,7aS)-N-(1H-benzimidazol-2-ylmethyl)-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 95232465
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
CID 55718643
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
CID 86283854

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide (CID 131949916) is N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide is CN(Cc1nc2ccccc2[nH]1)C(=O)C1CC1(C)C.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is UMNZUCRKNFDCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)8-10(15)14(19)18(3)9-13-16-11-6-4-5-7-12(11)17-13/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 131949916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).