6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

C15H21ClN4 — CID 115470569

IUPAC6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCC(C)N1CCC(Cn2c(N)nc3ccc(Cl)cc32)C1
InChIInChI=1S/C15H21ClN4/c1-10(2)19-6-5-11(8-19)9-20-14-7-12(16)3-4-13(14)18-15(20)17/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H2,17,18)
InChIKeyCESCPXWIPCOZHV-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.00
Rot. Bonds3

About 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (PubChem CID 115470569) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
PubChem CID115470569
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCC(C)N1CCC(Cn2c(N)nc3ccc(Cl)cc32)C1
InChIInChI=1S/C15H21ClN4/c1-10(2)19-6-5-11(8-19)9-20-14-7-12(16)3-4-13(14)18-15(20)17/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H2,17,18)
InChIKeyCESCPXWIPCOZHV-UHFFFAOYSA-N
XLogP3.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 116738278
6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 62533222
2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine
CID 62506736
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
6-chloro-2-(chloromethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 115471136
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 65346977
6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
CID 134083712
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
2-(chloromethyl)-5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 81139474
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (CID 115470569) is 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is CC(C)N1CCC(Cn2c(N)nc3ccc(Cl)cc32)C1.
What is the InChIKey of 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is CESCPXWIPCOZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10(2)19-6-5-11(8-19)9-20-14-7-12(16)3-4-13(14)18-15(20)17/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H2,17,18).
What are the key properties of 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 115470569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).