N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine

C15H16N4 — CID 43190607

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1)c1nc2ccccc2n1C
InChIInChI=1S/C15H16N4/c1-11(17-12-6-5-9-16-10-12)15-18-13-7-3-4-8-14(13)19(15)2/h3-11,17H,1-2H3
InChIKeyKZBSGNMAFUVMEC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine

N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine (PubChem CID 43190607) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
PubChem CID43190607
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1)c1nc2ccccc2n1C
InChIInChI=1S/C15H16N4/c1-11(17-12-6-5-9-16-10-12)15-18-13-7-3-4-8-14(13)19(15)2/h3-11,17H,1-2H3
InChIKeyKZBSGNMAFUVMEC-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43195422
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194264
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 43543411
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
CID 60932031
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43123935
1-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylurea
CID 52535419
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine (CID 43190607) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine is CC(Nc1cccnc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine?
The InChIKey is KZBSGNMAFUVMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(17-12-6-5-9-16-10-12)15-18-13-7-3-4-8-14(13)19(15)2/h3-11,17H,1-2H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine has a molecular weight of 252.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43190607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).