N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine

C14H21N3O — CID 62671424

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-10(8-9-18-3)15-11(2)14-16-12-6-4-5-7-13(12)17-14/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyOBHSTAPDCOEEOU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine (PubChem CID 62671424) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine
PubChem CID62671424
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-10(8-9-18-3)15-11(2)14-16-12-6-4-5-7-13(12)17-14/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyOBHSTAPDCOEEOU-UHFFFAOYSA-N
XLogP2.64
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
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N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxyaniline
CID 53411479
2-propan-2-yl-1H-benzimidazole
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CID 62673016
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 62674077
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 92582412
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CID 3149717
3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol
CID 62672139

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine (CID 62671424) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine is COCCC(C)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine?
The InChIKey is OBHSTAPDCOEEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(8-9-18-3)15-11(2)14-16-12-6-4-5-7-13(12)17-14/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.64, 6 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]-4-methoxybutan-2-amine is sourced from PubChem (CID 62671424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).