1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide

C26H32FN5O2 — CID 175269250

IUPAC1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide
SMILESCc1cnc(C(=O)CCNC2(C(N)=O)CCCCC2)cc1-c1cc(F)c2ncn(C(C)C)c2c1
InChIInChI=1S/C26H32FN5O2/c1-16(2)32-15-30-24-20(27)11-18(12-22(24)32)19-13-21(29-14-17(19)3)23(33)7-10-31-26(25(28)34)8-5-4-6-9-26/h11-16,31H,4-10H2,1-3H3,(H2,28,34)
InChIKeyXTLRIQIMHXOODJ-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.48
Rot. Bonds8

About 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide

1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide (PubChem CID 175269250) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide
PubChem CID175269250
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide
SMILESCc1cnc(C(=O)CCNC2(C(N)=O)CCCCC2)cc1-c1cc(F)c2ncn(C(C)C)c2c1
InChIInChI=1S/C26H32FN5O2/c1-16(2)32-15-30-24-20(27)11-18(12-22(24)32)19-13-21(29-14-17(19)3)23(33)7-10-31-26(25(28)34)8-5-4-6-9-26/h11-16,31H,4-10H2,1-3H3,(H2,28,34)
InChIKeyXTLRIQIMHXOODJ-UHFFFAOYSA-N
XLogP4.48
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide (CID 175269250) is 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide is Cc1cnc(C(=O)CCNC2(C(N)=O)CCCCC2)cc1-c1cc(F)c2ncn(C(C)C)c2c1.
What is the InChIKey of 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide?
The InChIKey is XTLRIQIMHXOODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-16(2)32-15-30-24-20(27)11-18(12-22(24)32)19-13-21(29-14-17(19)3)23(33)7-10-31-26(25(28)34)8-5-4-6-9-26/h11-16,31H,4-10H2,1-3H3,(H2,28,34).
What are the key properties of 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide?
1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-oxopropyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 175269250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).