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

C14H15N5O — CID 110467360

IUPACN-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1nccn1C
InChIInChI=1S/C14H15N5O/c1-18-8-7-15-13(18)14(20)19(2)9-12-16-10-5-3-4-6-11(10)17-12/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyWVVFWRPZZWOEJH-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.57
Rot. Bonds3

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

N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide (PubChem CID 110467360) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
PubChem CID110467360
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1nccn1C
InChIInChI=1S/C14H15N5O/c1-18-8-7-15-13(18)14(20)19(2)9-12-16-10-5-3-4-6-11(10)17-12/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyWVVFWRPZZWOEJH-UHFFFAOYSA-N
XLogP1.57
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide (CID 110467360) is N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide is CN(Cc1nc2ccccc2[nH]1)C(=O)c1nccn1C.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide?
The InChIKey is WVVFWRPZZWOEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-8-7-15-13(18)14(20)19(2)9-12-16-10-5-3-4-6-11(10)17-12/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 110467360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).