4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide

C25H29N5O2 — CID 174531949

IUPAC4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(=Cc2ccccc2)c2nc3ccc(CC(N)=O)cc3[nH]2)CC1
InChIInChI=1S/C25H29N5O2/c26-15-17-6-9-19(10-7-17)25(32)30-22(12-16-4-2-1-3-5-16)24-28-20-11-8-18(14-23(27)31)13-21(20)29-24/h1-5,8,11-13,17,19H,6-7,9-10,14-15,26H2,(H2,27,31)(H,28,29)(H,30,32)
InChIKeyFLKLZZYGLYJUIR-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.97
Rot. Bonds7

About 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide (PubChem CID 174531949) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide
PubChem CID174531949
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(=Cc2ccccc2)c2nc3ccc(CC(N)=O)cc3[nH]2)CC1
InChIInChI=1S/C25H29N5O2/c26-15-17-6-9-19(10-7-17)25(32)30-22(12-16-4-2-1-3-5-16)24-28-20-11-8-18(14-23(27)31)13-21(20)29-24/h1-5,8,11-13,17,19H,6-7,9-10,14-15,26H2,(H2,27,31)(H,28,29)(H,30,32)
InChIKeyFLKLZZYGLYJUIR-UHFFFAOYSA-N
XLogP2.97
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
2-[(Z)-1-benzamido-2-[3-[hydroxy(oxido)azaniumyl]phenyl]ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
CID 20831262
6-benzyl-1H-benzimidazole-2-carboxylic acid
CID 76845904
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
CID 5387521
4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 75277368
N-[1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide
CID 2860636
4-(aminomethyl)-N-[1-(1H-imidazol-2-yl)-2-phenylethyl]cyclohexane-1-carboxamide
CID 141134239
2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765
2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
CID 20831265
4-[2-[(1S)-1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-4-phenyl-1H-imidazol-5-yl]benzamide
CID 11706315
2-[2-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]acetic acid
CID 57066240
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide (CID 174531949) is 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NC(=Cc2ccccc2)c2nc3ccc(CC(N)=O)cc3[nH]2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide?
The InChIKey is FLKLZZYGLYJUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c26-15-17-6-9-19(10-7-17)25(32)30-22(12-16-4-2-1-3-5-16)24-28-20-11-8-18(14-23(27)31)13-21(20)29-24/h1-5,8,11-13,17,19H,6-7,9-10,14-15,26H2,(H2,27,31)(H,28,29)(H,30,32).
What are the key properties of 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.97, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[6-(2-amino-2-oxoethyl)-1H-benzimidazol-2-yl]-2-phenylethenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 174531949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).