benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide

C32H40N4O2 — CID 142813043

IUPACbenzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(CC)C(CC)CC)cc3[nH]2)cc1.c1ccccc1
InChIInChI=1S/C26H34N4O2.C6H6/c1-5-9-24(31)27-19-12-10-18(11-13-19)25-29-22-15-14-20(16-23(22)30-25)28-26(32)21(8-4)17(6-2)7-3;1-2-4-6-5-3-1/h10-17,21H,5-9H2,1-4H3,(H,27,31)(H,28,32)(H,29,30);1-6H
InChIKeyACOASRLFCQMVDS-UHFFFAOYSA-N
MW512.70 g/mol
LogP8.06
Rot. Bonds10

About benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide

benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide (PubChem CID 142813043) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide.

Molecular Properties

Compound Namebenzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide
PubChem CID142813043
Molecular FormulaC32H40N4O2
Molecular Weight512.70 g/mol
Exact Mass512.32
IUPAC Namebenzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(CC)C(CC)CC)cc3[nH]2)cc1.c1ccccc1
InChIInChI=1S/C26H34N4O2.C6H6/c1-5-9-24(31)27-19-12-10-18(11-13-19)25-29-22-15-14-20(16-23(22)30-25)28-26(32)21(8-4)17(6-2)7-3;1-2-4-6-5-3-1/h10-17,21H,5-9H2,1-4H3,(H,27,31)(H,28,32)(H,29,30);1-6H
InChIKeyACOASRLFCQMVDS-UHFFFAOYSA-N
XLogP8.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 58.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
CID 142813057
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048

Frequently Asked Questions

What is the IUPAC name of benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide?
The IUPAC name of benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide (CID 142813043) is benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide.
What is the SMILES notation for benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide?
The canonical SMILES for benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide is CCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(CC)C(CC)CC)cc3[nH]2)cc1.c1ccccc1.
What is the InChIKey of benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide?
The InChIKey is ACOASRLFCQMVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2.C6H6/c1-5-9-24(31)27-19-12-10-18(11-13-19)25-29-22-15-14-20(16-23(22)30-25)28-26(32)21(8-4)17(6-2)7-3;1-2-4-6-5-3-1/h10-17,21H,5-9H2,1-4H3,(H,27,31)(H,28,32)(H,29,30);1-6H.
What are the key properties of benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide?
benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide has a molecular weight of 512.70 g/mol, XLogP of 8.06, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide is sourced from PubChem (CID 142813043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).