1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride

C19H21Cl2N3 — CID 5309446

IUPAC1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
SMILESCl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H
InChIKeyDNFMJYXRIMLMBZ-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.76
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride

1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride (PubChem CID 5309446) has the molecular formula C19H21Cl2N3 and a molecular weight of 362.30 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
PubChem CID5309446
Molecular FormulaC19H21Cl2N3
Molecular Weight362.30 g/mol
Exact Mass361.11
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
SMILESCl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H
InChIKeyDNFMJYXRIMLMBZ-UHFFFAOYSA-N
XLogP4.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Clemizole
CID 2782
Chlormidazole
CID 71821
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
Chlorfenazole
CID 77123
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
Clonitazene
CID 62528
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
CID 887666
1-Benzyl-1H-benzimidazole
CID 563347
1-Benzyl-2-phenylbenzimidazole
CID 1221687

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride (CID 5309446) is 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride is Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride?
The InChIKey is DNFMJYXRIMLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride?
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride is sourced from PubChem (CID 5309446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).