N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide

C24H29FN4O — CID 167702912

IUPACN-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide
SMILESCc1cnc(NC(=O)C2CCCC(C)C2)cc1-c1cc(F)c2ncn(C(C)C)c2c1
InChIInChI=1S/C24H29FN4O/c1-14(2)29-13-27-23-20(25)9-18(10-21(23)29)19-11-22(26-12-16(19)4)28-24(30)17-7-5-6-15(3)8-17/h9-15,17H,5-8H2,1-4H3,(H,26,28,30)
InChIKeySFPRCNUFZNKZMG-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.89
Rot. Bonds4

About N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide

N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 167702912) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide
PubChem CID167702912
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC NameN-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide
SMILESCc1cnc(NC(=O)C2CCCC(C)C2)cc1-c1cc(F)c2ncn(C(C)C)c2c1
InChIInChI=1S/C24H29FN4O/c1-14(2)29-13-27-23-20(25)9-18(10-21(23)29)19-11-22(26-12-16(19)4)28-24(30)17-7-5-6-15(3)8-17/h9-15,17H,5-8H2,1-4H3,(H,26,28,30)
InChIKeySFPRCNUFZNKZMG-UHFFFAOYSA-N
XLogP5.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
CID 159106648
cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(1-methylazetidin-3-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 161182726
cis-(1S,3R)-3-(3-cyano-2-oxopropyl)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
CID 167665423
5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine
CID 156650773
1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide
CID 175269250
(3S)-N-[(1R,3S)-3-[[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-1,5-dimethyl-2H-pyridin-2-yl]carbamoyl]cyclohexyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156650756
N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide
CID 156630268
cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 159967949
N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide
CID 156630275
N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
CID 156630296
trans-(1S,3R)-1-[[(1S,3R)-3-acetamidocyclohexanecarbonyl]amino]-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(dimethylcarbamoylamino)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
CID 166060492
cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
CID 167688518

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide (CID 167702912) is N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide is Cc1cnc(NC(=O)C2CCCC(C)C2)cc1-c1cc(F)c2ncn(C(C)C)c2c1.
What is the InChIKey of N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is SFPRCNUFZNKZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-14(2)29-13-27-23-20(25)9-18(10-21(23)29)19-11-22(26-12-16(19)4)28-24(30)17-7-5-6-15(3)8-17/h9-15,17H,5-8H2,1-4H3,(H,26,28,30).
What are the key properties of N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide?
N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 167702912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).