N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide

C12H15N3O — CID 43420531

IUPACN-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-8(2)15(3)12(16)9-4-5-10-11(6-9)14-7-13-10/h4-8H,1-3H3,(H,13,14)
InChIKeyMRBLHRWXRNMOBS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.04
Rot. Bonds2

About N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide

N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 43420531) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID43420531
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-8(2)15(3)12(16)9-4-5-10-11(6-9)14-7-13-10/h4-8H,1-3H3,(H,13,14)
InChIKeyMRBLHRWXRNMOBS-UHFFFAOYSA-N
XLogP2.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3H-benzimidazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60827417
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 93185873
N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
CID 60959614
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825527
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 31869991
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 43420531) is N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(C)N(C)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is MRBLHRWXRNMOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)15(3)12(16)9-4-5-10-11(6-9)14-7-13-10/h4-8H,1-3H3,(H,13,14).
What are the key properties of N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43420531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).