1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine

C19H22ClN3O — CID 21484153

IUPAC1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine
SMILESCCCOc1cc(CCCn2c(N)nc3ccccc32)ccc1Cl
InChIInChI=1S/C19H22ClN3O/c1-2-12-24-18-13-14(9-10-15(18)20)6-5-11-23-17-8-4-3-7-16(17)22-19(23)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,21,22)
InChIKeyHCAOLSLZGWXFHS-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.69
Rot. Bonds7

About 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine

1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine (PubChem CID 21484153) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine
PubChem CID21484153
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine
SMILESCCCOc1cc(CCCn2c(N)nc3ccccc32)ccc1Cl
InChIInChI=1S/C19H22ClN3O/c1-2-12-24-18-13-14(9-10-15(18)20)6-5-11-23-17-8-4-3-7-16(17)22-19(23)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,21,22)
InChIKeyHCAOLSLZGWXFHS-UHFFFAOYSA-N
XLogP4.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine
CID 21484264
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethanol
CID 17027835
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine
CID 106035956
2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 43349882
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974464

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine?
The IUPAC name of 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine (CID 21484153) is 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine?
The canonical SMILES for 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine is CCCOc1cc(CCCn2c(N)nc3ccccc32)ccc1Cl.
What is the InChIKey of 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine?
The InChIKey is HCAOLSLZGWXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-2-12-24-18-13-14(9-10-15(18)20)6-5-11-23-17-8-4-3-7-16(17)22-19(23)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,21,22).
What are the key properties of 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine?
1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine has a molecular weight of 343.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine is sourced from PubChem (CID 21484153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).