N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide

C26H26ClN5O — CID 139721505

IUPACN-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCN(Cc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C26H26ClN5O/c27-22-11-5-4-8-20(22)18-28-26(33)31-16-14-30(15-17-31)19-25-29-23-12-6-7-13-24(23)32(25)21-9-2-1-3-10-21/h1-13H,14-19H2,(H,28,33)
InChIKeyFPXNYBMGOWAMKA-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.71
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide

N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 139721505) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID139721505
Molecular FormulaC26H26ClN5O
Molecular Weight459.98 g/mol
Exact Mass459.18
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCN(Cc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C26H26ClN5O/c27-22-11-5-4-8-20(22)18-28-26(33)31-16-14-30(15-17-31)19-25-29-23-12-6-7-13-24(23)32(25)21-9-2-1-3-10-21/h1-13H,14-19H2,(H,28,33)
InChIKeyFPXNYBMGOWAMKA-UHFFFAOYSA-N
XLogP4.71
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-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-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830755
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124792119
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105167
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(2-chlorophenyl)-4-[[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022633

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide (CID 139721505) is N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide is O=C(NCc1ccccc1Cl)N1CCN(Cc2nc3ccccc3n2-c2ccccc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is FPXNYBMGOWAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O/c27-22-11-5-4-8-20(22)18-28-26(33)31-16-14-30(15-17-31)19-25-29-23-12-6-7-13-24(23)32(25)21-9-2-1-3-10-21/h1-13H,14-19H2,(H,28,33).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 459.98 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 139721505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).