N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine

C14H14N4 — CID 60724163

IUPACN-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1ccccn1
InChIInChI=1S/C14H14N4/c1-10(11-6-4-5-9-15-11)16-14-17-12-7-2-3-8-13(12)18-14/h2-10H,1H3,(H2,16,17,18)
InChIKeyCCZUEWYULAQLJV-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.13
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine

N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine (PubChem CID 60724163) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
PubChem CID60724163
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1ccccn1
InChIInChI=1S/C14H14N4/c1-10(11-6-4-5-9-15-11)16-14-17-12-7-2-3-8-13(12)18-14/h2-10H,1H3,(H2,16,17,18)
InChIKeyCCZUEWYULAQLJV-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 106544922
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 112547613
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 60724213
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 65191883
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine (CID 60724163) is N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine is CC(Nc1nc2ccccc2[nH]1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine?
The InChIKey is CCZUEWYULAQLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(11-6-4-5-9-15-11)16-14-17-12-7-2-3-8-13(12)18-14/h2-10H,1H3,(H2,16,17,18).
What are the key properties of N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine?
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 60724163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).