N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine

C16H18N4 — CID 62674077

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(NC(C)c1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C16H18N4/c1-11(13-6-5-9-17-10-13)18-12(2)16-19-14-7-3-4-8-15(14)20-16/h3-12,18H,1-2H3,(H,19,20)
InChIKeyRDHQDOGWZYYXQQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 62674077) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID62674077
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(NC(C)c1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C16H18N4/c1-11(13-6-5-9-17-10-13)18-12(2)16-19-14-7-3-4-8-15(14)20-16/h3-12,18H,1-2H3,(H,19,20)
InChIKeyRDHQDOGWZYYXQQ-UHFFFAOYSA-N
XLogP3.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol
CID 62672139
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
2-propan-2-yl-1H-benzimidazole
CID 22121
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
CID 62672499
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine (CID 62674077) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine is CC(NC(C)c1nc2ccccc2[nH]1)c1cccnc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is RDHQDOGWZYYXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11(13-6-5-9-17-10-13)18-12(2)16-19-14-7-3-4-8-15(14)20-16/h3-12,18H,1-2H3,(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 266.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 62674077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).