5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide

C21H25ClN4O2 — CID 86974330

IUPAC5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-13(2)26-18-8-6-5-7-17(18)25-19(26)9-10-23-20(27)15-11-16(22)21(24-12-15)28-14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27)
InChIKeyCXTZHGACEBWPON-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.43
Rot. Bonds7

About 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 86974330) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID86974330
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-13(2)26-18-8-6-5-7-17(18)25-19(26)9-10-23-20(27)15-11-16(22)21(24-12-15)28-14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27)
InChIKeyCXTZHGACEBWPON-UHFFFAOYSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 122150093
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
4-bromo-N-[2-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
CID 16977590
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964262
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
propan-2-yl 2-[2-[2-[(4-chlorobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16977270
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647020
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 86974330) is 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is CXTZHGACEBWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-13(2)26-18-8-6-5-7-17(18)25-19(26)9-10-23-20(27)15-11-16(22)21(24-12-15)28-14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27).
What are the key properties of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 86974330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).