N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide

C20H23N5O — CID 651770

IUPACN-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCn1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23N5O/c1-23-18-10-6-5-9-17(18)22-19(23)24-11-13-25(14-12-24)20(26)21-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,26)
InChIKeyKTKDTYASKUIRMG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.61
Rot. Bonds3

About N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide

N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 651770) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
PubChem CID651770
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCn1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23N5O/c1-23-18-10-6-5-9-17(18)22-19(23)24-11-13-25(14-12-24)20(26)21-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,26)
InChIKeyKTKDTYASKUIRMG-UHFFFAOYSA-N
XLogP2.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(1-methylbenzimidazol-2-yl)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-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375501
2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 155161689
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
ethyl (3R)-3-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879184
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 46375672
N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide (CID 651770) is N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide is Cn1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is KTKDTYASKUIRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-18-10-6-5-9-17(18)22-19(23)24-11-13-25(14-12-24)20(26)21-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,26).
What are the key properties of N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide?
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 651770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).