2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide

C24H29FN4O — CID 155664759

IUPAC2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide
SMILESCC1CCC([C@H](N)c2nc3c(F)c(-c4ccccc4C(=O)N(C)C)ccc3[nH]2)CC1
InChIInChI=1S/C24H29FN4O/c1-14-8-10-15(11-9-14)21(26)23-27-19-13-12-17(20(25)22(19)28-23)16-6-4-5-7-18(16)24(30)29(2)3/h4-7,12-15,21H,8-11,26H2,1-3H3,(H,27,28)/t14?,15?,21-/m0/s1
InChIKeyRBGSPFICBODMPX-XFMWISLNSA-N
MW408.52 g/mol
LogP4.90
Rot. Bonds4

About 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide

2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide (PubChem CID 155664759) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide
PubChem CID155664759
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide
SMILESCC1CCC([C@H](N)c2nc3c(F)c(-c4ccccc4C(=O)N(C)C)ccc3[nH]2)CC1
InChIInChI=1S/C24H29FN4O/c1-14-8-10-15(11-9-14)21(26)23-27-19-13-12-17(20(25)22(19)28-23)16-6-4-5-7-18(16)24(30)29(2)3/h4-7,12-15,21H,8-11,26H2,1-3H3,(H,27,28)/t14?,15?,21-/m0/s1
InChIKeyRBGSPFICBODMPX-XFMWISLNSA-N
XLogP4.90
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide (CID 155664759) is 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide is CC1CCC([C@H](N)c2nc3c(F)c(-c4ccccc4C(=O)N(C)C)ccc3[nH]2)CC1.
What is the InChIKey of 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide?
The InChIKey is RBGSPFICBODMPX-XFMWISLNSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-14-8-10-15(11-9-14)21(26)23-27-19-13-12-17(20(25)22(19)28-23)16-6-4-5-7-18(16)24(30)29(2)3/h4-7,12-15,21H,8-11,26H2,1-3H3,(H,27,28)/t14?,15?,21-/m0/s1.
What are the key properties of 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide?
2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide has a molecular weight of 408.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(S)-amino-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 155664759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).