N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane

C25H35N5O — CID 143700070

IUPACN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
SMILESCC.CCNc1ccc(C(=O)NC2CCCC(c3nc4ccccc4[nH]3)C2)cc1NC
InChIInChI=1S/C23H29N5O.C2H6/c1-3-25-18-12-11-16(14-21(18)24-2)23(29)26-17-8-6-7-15(13-17)22-27-19-9-4-5-10-20(19)28-22;1-2/h4-5,9-12,14-15,17,24-25H,3,6-8,13H2,1-2H3,(H,26,29)(H,27,28);1-2H3
InChIKeyBXLVIYOFYPVEJV-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.52
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane

N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane (PubChem CID 143700070) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
PubChem CID143700070
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
SMILESCC.CCNc1ccc(C(=O)NC2CCCC(c3nc4ccccc4[nH]3)C2)cc1NC
InChIInChI=1S/C23H29N5O.C2H6/c1-3-25-18-12-11-16(14-21(18)24-2)23(29)26-17-8-6-7-15(13-17)22-27-19-9-4-5-10-20(19)28-22;1-2/h4-5,9-12,14-15,17,24-25H,3,6-8,13H2,1-2H3,(H,26,29)(H,27,28);1-2H3
InChIKeyBXLVIYOFYPVEJV-UHFFFAOYSA-N
XLogP5.52
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 59174995
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 59175200
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methylsulfinylbenzamide;2,2,2-trifluoroacetic acid
CID 68573846
1-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(2,4-dichlorophenyl)urea
CID 59175073
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017
N-[(1R)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;2,3-dihydroxybutanedioic acid
CID 157284577
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-(4-propan-2-ylanilino)acetamide
CID 143699908

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane (CID 143700070) is N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane is CC.CCNc1ccc(C(=O)NC2CCCC(c3nc4ccccc4[nH]3)C2)cc1NC.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane?
The InChIKey is BXLVIYOFYPVEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.C2H6/c1-3-25-18-12-11-16(14-21(18)24-2)23(29)26-17-8-6-7-15(13-17)22-27-19-9-4-5-10-20(19)28-22;1-2/h4-5,9-12,14-15,17,24-25H,3,6-8,13H2,1-2H3,(H,26,29)(H,27,28);1-2H3.
What are the key properties of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane?
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane has a molecular weight of 421.59 g/mol, XLogP of 5.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane is sourced from PubChem (CID 143700070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).