N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide

C27H30N6O — CID 156631177

IUPACN-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide
SMILESCCN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nc5ccccc5[nH]4)c3)cc2)CC1
InChIInChI=1S/C27H30N6O/c1-2-32-14-16-33(17-15-32)19-20-10-12-21(13-11-20)26(34)28-22-6-5-7-23(18-22)29-27-30-24-8-3-4-9-25(24)31-27/h3-13,18H,2,14-17,19H2,1H3,(H,28,34)(H2,29,30,31)
InChIKeyPEQQUNRJOMENEO-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.70
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide

N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide (PubChem CID 156631177) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide
PubChem CID156631177
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC NameN-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide
SMILESCCN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nc5ccccc5[nH]4)c3)cc2)CC1
InChIInChI=1S/C27H30N6O/c1-2-32-14-16-33(17-15-32)19-20-10-12-21(13-11-20)26(34)28-22-6-5-7-23(18-22)29-27-30-24-8-3-4-9-25(24)31-27/h3-13,18H,2,14-17,19H2,1H3,(H,28,34)(H2,29,30,31)
InChIKeyPEQQUNRJOMENEO-UHFFFAOYSA-N
XLogP4.70
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide 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-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
CID 156631123
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 43919042
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 55930735

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide (CID 156631177) is N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide is CCN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nc5ccccc5[nH]4)c3)cc2)CC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide?
The InChIKey is PEQQUNRJOMENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-2-32-14-16-33(17-15-32)19-20-10-12-21(13-11-20)26(34)28-22-6-5-7-23(18-22)29-27-30-24-8-3-4-9-25(24)31-27/h3-13,18H,2,14-17,19H2,1H3,(H,28,34)(H2,29,30,31).
What are the key properties of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide?
N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide has a molecular weight of 454.58 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 156631177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).