N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine

C18H20N4O — CID 133409906

IUPACN-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
SMILESc1ccc(N2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H20N4O/c1-4-8-17(22-9-11-23-12-10-22)14(5-1)13-19-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H2,19,20,21)
InChIKeyNZCONNDKHDEHMK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.01
Rot. Bonds4

About N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine

N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 133409906) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
PubChem CID133409906
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
SMILESc1ccc(N2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H20N4O/c1-4-8-17(22-9-11-23-12-10-22)14(5-1)13-19-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H2,19,20,21)
InChIKeyNZCONNDKHDEHMK-UHFFFAOYSA-N
XLogP3.01
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136579516
6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 56821492
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 141189433
1-(2-methylpropyl)-N-[(2-morpholin-4-ylphenyl)methyl]imidazol-2-amine
CID 100662984
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine
CID 7005670

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine (CID 133409906) is N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine is c1ccc(N2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is NZCONNDKHDEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-8-17(22-9-11-23-12-10-22)14(5-1)13-19-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H2,19,20,21).
What are the key properties of N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine?
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 308.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133409906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).