N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide

C24H30N4O — CID 143699908

IUPACN-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccc(NCC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H30N4O/c1-16(2)17-10-12-19(13-11-17)25-15-23(29)26-20-7-5-6-18(14-20)24-27-21-8-3-4-9-22(21)28-24/h3-4,8-13,16,18,20,25H,5-7,14-15H2,1-2H3,(H,26,29)(H,27,28)/t18-,20+/m0/s1
InChIKeyBJGDHNAYVVYGDL-AZUAARDMSA-N
MW390.53 g/mol
LogP4.94
Rot. Bonds6

About N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide

N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide (PubChem CID 143699908) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide
PubChem CID143699908
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccc(NCC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H30N4O/c1-16(2)17-10-12-19(13-11-17)25-15-23(29)26-20-7-5-6-18(14-20)24-27-21-8-3-4-9-22(21)28-24/h3-4,8-13,16,18,20,25H,5-7,14-15H2,1-2H3,(H,26,29)(H,27,28)/t18-,20+/m0/s1
InChIKeyBJGDHNAYVVYGDL-AZUAARDMSA-N
XLogP4.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
CID 143700070
1-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(2,4-dichlorophenyl)urea
CID 59175073
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea
CID 71095705
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 59175200
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclohexylacetamide
CID 16810436

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide?
The IUPAC name of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide (CID 143699908) is N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide is CC(C)c1ccc(NCC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide?
The InChIKey is BJGDHNAYVVYGDL-AZUAARDMSA-N. The full InChI is InChI=1S/C24H30N4O/c1-16(2)17-10-12-19(13-11-17)25-15-23(29)26-20-7-5-6-18(14-20)24-27-21-8-3-4-9-22(21)28-24/h3-4,8-13,16,18,20,25H,5-7,14-15H2,1-2H3,(H,26,29)(H,27,28)/t18-,20+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide?
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide has a molecular weight of 390.53 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 143699908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).