N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine

C16H18N4 — CID 14456529

IUPACN-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
SMILESCCn1c(CNc2ccncc2)nc2cc(C)ccc21
InChIInChI=1S/C16H18N4/c1-3-20-15-5-4-12(2)10-14(15)19-16(20)11-18-13-6-8-17-9-7-13/h4-10H,3,11H2,1-2H3,(H,17,18)
InChIKeyMPQJONPYXJDXNV-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.37
Rot. Bonds4

About N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine

N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine (PubChem CID 14456529) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
PubChem CID14456529
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
SMILESCCn1c(CNc2ccncc2)nc2cc(C)ccc21
InChIInChI=1S/C16H18N4/c1-3-20-15-5-4-12(2)10-14(15)19-16(20)11-18-13-6-8-17-9-7-13/h4-10H,3,11H2,1-2H3,(H,17,18)
InChIKeyMPQJONPYXJDXNV-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine (CID 14456529) is N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine is CCn1c(CNc2ccncc2)nc2cc(C)ccc21.
What is the InChIKey of N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine?
The InChIKey is MPQJONPYXJDXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-20-15-5-4-12(2)10-14(15)19-16(20)11-18-13-6-8-17-9-7-13/h4-10H,3,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine?
N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 14456529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).