N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide

C16H17N5O — CID 166213314

IUPACN-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCn1c(Cn2cc(NC(=O)C3CC3)cn2)nc2ccccc21
InChIInChI=1S/C16H17N5O/c1-20-14-5-3-2-4-13(14)19-15(20)10-21-9-12(8-17-21)18-16(22)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,22)
InChIKeyFEBJVULYCRPPDM-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.17
Rot. Bonds4

About N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide

N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 166213314) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID166213314
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCn1c(Cn2cc(NC(=O)C3CC3)cn2)nc2ccccc21
InChIInChI=1S/C16H17N5O/c1-20-14-5-3-2-4-13(14)19-15(20)10-21-9-12(8-17-21)18-16(22)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,22)
InChIKeyFEBJVULYCRPPDM-UHFFFAOYSA-N
XLogP2.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 39047383
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124815123
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882217
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide (CID 166213314) is N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide is Cn1c(Cn2cc(NC(=O)C3CC3)cn2)nc2ccccc21.
What is the InChIKey of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is FEBJVULYCRPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20-14-5-3-2-4-13(14)19-15(20)10-21-9-12(8-17-21)18-16(22)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,22).
What are the key properties of N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166213314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).