2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

C20H24N4O — CID 152760188

IUPAC2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCCc1nc2ccc(C(=O)NCc3ccccn3)cc2n1CCC
InChIInChI=1S/C20H24N4O/c1-3-7-19-23-17-10-9-15(13-18(17)24(19)12-4-2)20(25)22-14-16-8-5-6-11-21-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,25)
InChIKeyFDKVQUXMANVWPX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.72
Rot. Bonds7

About 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 152760188) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID152760188
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCCc1nc2ccc(C(=O)NCc3ccccn3)cc2n1CCC
InChIInChI=1S/C20H24N4O/c1-3-7-19-23-17-10-9-15(13-18(17)24(19)12-4-2)20(25)22-14-16-8-5-6-11-21-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,25)
InChIKeyFDKVQUXMANVWPX-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 18680806
3-[(2-chlorophenyl)methyl]-2-propyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 54266313
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 20916068
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
2,3-bis(furan-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 3239711
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)methyl]-2-propylbenzimidazole-5-carboxamide
CID 18681073
2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 53199043

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (CID 152760188) is 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is CCCc1nc2ccc(C(=O)NCc3ccccn3)cc2n1CCC.
What is the InChIKey of 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is FDKVQUXMANVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-7-19-23-17-10-9-15(13-18(17)24(19)12-4-2)20(25)22-14-16-8-5-6-11-21-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,25).
What are the key properties of 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 152760188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).