N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide

C14H13N5O — CID 47292400

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nccc(CNC(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C14H13N5O/c1-9-15-5-4-11(19-9)7-16-14(20)10-2-3-12-13(6-10)18-8-17-12/h2-6,8H,7H2,1H3,(H,16,20)(H,17,18)
InChIKeyREUDFBHXRIYUHF-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.59
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 47292400) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID47292400
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nccc(CNC(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C14H13N5O/c1-9-15-5-4-11(19-9)7-16-14(20)10-2-3-12-13(6-10)18-8-17-12/h2-6,8H,7H2,1H3,(H,16,20)(H,17,18)
InChIKeyREUDFBHXRIYUHF-UHFFFAOYSA-N
XLogP1.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444788
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998603
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 47292400) is N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide is Cc1nccc(CNC(=O)c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is REUDFBHXRIYUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-15-5-4-11(19-9)7-16-14(20)10-2-3-12-13(6-10)18-8-17-12/h2-6,8H,7H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 47292400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).