N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide

C13H13N5O — CID 47364492

IUPACN-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2ccc3nc[nH]c3c2)cn1
InChIInChI=1S/C13H13N5O/c1-18-7-9(6-17-18)5-14-13(19)10-2-3-11-12(4-10)16-8-15-11/h2-4,6-8H,5H2,1H3,(H,14,19)(H,15,16)
InChIKeySRZMWQGBVRRORU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.23
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 47364492) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID47364492
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2ccc3nc[nH]c3c2)cn1
InChIInChI=1S/C13H13N5O/c1-18-7-9(6-17-18)5-14-13(19)10-2-3-11-12(4-10)16-8-15-11/h2-4,6-8H,5H2,1H3,(H,14,19)(H,15,16)
InChIKeySRZMWQGBVRRORU-UHFFFAOYSA-N
XLogP1.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 75434360
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 47364492) is N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide is Cn1cc(CNC(=O)c2ccc3nc[nH]c3c2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is SRZMWQGBVRRORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-7-9(6-17-18)5-14-13(19)10-2-3-11-12(4-10)16-8-15-11/h2-4,6-8H,5H2,1H3,(H,14,19)(H,15,16).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 47364492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).