N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide

C17H18N4O — CID 50844462

IUPACN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)n1cnc2cc(CNC(=O)c3cccnc3)ccc21
InChIInChI=1S/C17H18N4O/c1-12(2)21-11-20-15-8-13(5-6-16(15)21)9-19-17(22)14-4-3-7-18-10-14/h3-8,10-12H,9H2,1-2H3,(H,19,22)
InChIKeyLVLADISTKLWCJC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds4

About N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide

N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 50844462) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID50844462
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)n1cnc2cc(CNC(=O)c3cccnc3)ccc21
InChIInChI=1S/C17H18N4O/c1-12(2)21-11-20-15-8-13(5-6-16(15)21)9-19-17(22)14-4-3-7-18-10-14/h3-8,10-12H,9H2,1-2H3,(H,19,22)
InChIKeyLVLADISTKLWCJC-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-benzylpyridine-3-carboxamide chloride
CID 21204170
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide (CID 50844462) is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide is CC(C)n1cnc2cc(CNC(=O)c3cccnc3)ccc21.
What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is LVLADISTKLWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12(2)21-11-20-15-8-13(5-6-16(15)21)9-19-17(22)14-4-3-7-18-10-14/h3-8,10-12H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide?
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 50844462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).