N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C32H45Cl2N5O2 — CID 18465385

IUPACN-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCn1c(=O)n(C2CCN(C3(c4ccccc4)CCCCCC3)CC2)c2ccccc21)C1CCCN1
InChIInChI=1S/C32H43N5O2.2ClH/c38-30(27-13-10-20-33-27)34-21-24-36-28-14-6-7-15-29(28)37(31(36)39)26-16-22-35(23-17-26)32(18-8-1-2-9-19-32)25-11-4-3-5-12-25;;/h3-7,11-12,14-15,26-27,33H,1-2,8-10,13,16-24H2,(H,34,38);2*1H
InChIKeyNDSJWIQMAOGTJG-UHFFFAOYSA-N
MW602.65 g/mol
LogP5.40
Rot. Bonds7

About N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 18465385) has the molecular formula C32H45Cl2N5O2 and a molecular weight of 602.65 g/mol. Its IUPAC name is N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID18465385
Molecular FormulaC32H45Cl2N5O2
Molecular Weight602.65 g/mol
Exact Mass601.30
IUPAC NameN-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCn1c(=O)n(C2CCN(C3(c4ccccc4)CCCCCC3)CC2)c2ccccc21)C1CCCN1
InChIInChI=1S/C32H43N5O2.2ClH/c38-30(27-13-10-20-33-27)34-21-24-36-28-14-6-7-15-29(28)37(31(36)39)26-16-22-35(23-17-26)32(18-8-1-2-9-19-32)25-11-4-3-5-12-25;;/h3-7,11-12,14-15,26-27,33H,1-2,8-10,13,16-24H2,(H,34,38);2*1H
InChIKeyNDSJWIQMAOGTJG-UHFFFAOYSA-N
XLogP5.40
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.65
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride 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

1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one
CID 18465448
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one
CID 21186512
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
N-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 18465385) is N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCn1c(=O)n(C2CCN(C3(c4ccccc4)CCCCCC3)CC2)c2ccccc21)C1CCCN1.
What is the InChIKey of N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is NDSJWIQMAOGTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O2.2ClH/c38-30(27-13-10-20-33-27)34-21-24-36-28-14-6-7-15-29(28)37(31(36)39)26-16-22-35(23-17-26)32(18-8-1-2-9-19-32)25-11-4-3-5-12-25;;/h3-7,11-12,14-15,26-27,33H,1-2,8-10,13,16-24H2,(H,34,38);2*1H.
What are the key properties of N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 602.65 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 18465385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).