3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine

C16H17ClN4 — CID 133346675

IUPAC3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
SMILESCn1c(CCCNc2ccncc2Cl)nc2ccccc21
InChIInChI=1S/C16H17ClN4/c1-21-15-6-3-2-5-14(15)20-16(21)7-4-9-19-13-8-10-18-11-12(13)17/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,18,19)
InChIKeyZFWLVZDPXMCMBD-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.67
Rot. Bonds5

About 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine

3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine (PubChem CID 133346675) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
PubChem CID133346675
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
SMILESCn1c(CCCNc2ccncc2Cl)nc2ccccc21
InChIInChI=1S/C16H17ClN4/c1-21-15-6-3-2-5-14(15)20-16(21)7-4-9-19-13-8-10-18-11-12(13)17/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,18,19)
InChIKeyZFWLVZDPXMCMBD-UHFFFAOYSA-N
XLogP3.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
CID 133346689
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-methylsulfanylpyridazin-3-amine
CID 133346760
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine (CID 133346675) is 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine is Cn1c(CCCNc2ccncc2Cl)nc2ccccc21.
What is the InChIKey of 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine?
The InChIKey is ZFWLVZDPXMCMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-21-15-6-3-2-5-14(15)20-16(21)7-4-9-19-13-8-10-18-11-12(13)17/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine?
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine has a molecular weight of 300.79 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine is sourced from PubChem (CID 133346675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).