N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride

C17H19ClN4O — CID 110785739

IUPACN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCC(C)c1nc2ccc(CNC(=O)c3ccncc3)cc2[nH]1.Cl
InChIInChI=1S/C17H18N4O.ClH/c1-11(2)16-20-14-4-3-12(9-15(14)21-16)10-19-17(22)13-5-7-18-8-6-13;/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyJCHQZYONSLNQEP-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110785739) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110785739
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCC(C)c1nc2ccc(CNC(=O)c3ccncc3)cc2[nH]1.Cl
InChIInChI=1S/C17H18N4O.ClH/c1-11(2)16-20-14-4-3-12(9-15(14)21-16)10-19-17(22)13-5-7-18-8-6-13;/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyJCHQZYONSLNQEP-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
methyl 4-oxo-4-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]butanoate
CID 110785722
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765642
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
N-[(4-propan-2-ylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784665

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride (CID 110785739) is N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride is CC(C)c1nc2ccc(CNC(=O)c3ccncc3)cc2[nH]1.Cl.
What is the InChIKey of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is JCHQZYONSLNQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.ClH/c1-11(2)16-20-14-4-3-12(9-15(14)21-16)10-19-17(22)13-5-7-18-8-6-13;/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110785739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).