N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine

C13H18ClN3 — CID 82335889

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H18ClN3/c1-3-4-7-17(2)9-13-15-11-6-5-10(14)8-12(11)16-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyFHCRNAUYQXFVAO-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.45
Rot. Bonds5

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine (PubChem CID 82335889) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
PubChem CID82335889
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H18ClN3/c1-3-4-7-17(2)9-13-15-11-6-5-10(14)8-12(11)16-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyFHCRNAUYQXFVAO-UHFFFAOYSA-N
XLogP3.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine (CID 82335889) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
The InChIKey is FHCRNAUYQXFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-3-4-7-17(2)9-13-15-11-6-5-10(14)8-12(11)16-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 82335889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).