5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

C15H20ClN3 — CID 61372509

IUPAC5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCCCn1c(CC2CCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-2-8-19-14-6-5-11(16)9-13(14)18-15(19)10-12-4-3-7-17-12/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyHYFSPNIKKXVPPB-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.39
Rot. Bonds4

About 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (PubChem CID 61372509) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
PubChem CID61372509
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCCCn1c(CC2CCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-2-8-19-14-6-5-11(16)9-13(14)18-15(19)10-12-4-3-7-17-12/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyHYFSPNIKKXVPPB-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
3-[(5-chloro-1-ethylbenzimidazol-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80514948
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The IUPAC name of 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (CID 61372509) is 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is CCCn1c(CC2CCCN2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The InChIKey is HYFSPNIKKXVPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-8-19-14-6-5-11(16)9-13(14)18-15(19)10-12-4-3-7-17-12/h5-6,9,12,17H,2-4,7-8,10H2,1H3.
What are the key properties of 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole has a molecular weight of 277.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 61372509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).