(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine

C13H18N4O — CID 116941045

IUPAC(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine
SMILESCn1cnc2cc(C(N)C3CNCCO3)ccc21
InChIInChI=1S/C13H18N4O/c1-17-8-16-10-6-9(2-3-11(10)17)13(14)12-7-15-4-5-18-12/h2-3,6,8,12-13,15H,4-5,7,14H2,1H3
InChIKeyDPJUWSCKLIDJDA-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.56
Rot. Bonds2

About (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine

(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine (PubChem CID 116941045) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine
PubChem CID116941045
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine
SMILESCn1cnc2cc(C(N)C3CNCCO3)ccc21
InChIInChI=1S/C13H18N4O/c1-17-8-16-10-6-9(2-3-11(10)17)13(14)12-7-15-4-5-18-12/h2-3,6,8,12-13,15H,4-5,7,14H2,1H3
InChIKeyDPJUWSCKLIDJDA-UHFFFAOYSA-N
XLogP0.56
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
CID 116935373
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
N,1-dimethyl-N-(morpholin-2-ylmethyl)benzimidazol-5-amine
CID 115237579
(4-methoxy-3-methylphenyl)-morpholin-2-ylmethanamine
CID 116940973
N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
CID 115118759
5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116941050
4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
CID 175440412
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
CID 82500614
morpholin-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 116941022
morpholin-2-yl(1H-pyrrol-2-yl)methanamine
CID 116941017
(2,5-dimethylphenyl)-morpholin-2-ylmethanamine
CID 116940966
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine?
The IUPAC name of (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine (CID 116941045) is (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine?
The canonical SMILES for (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine is Cn1cnc2cc(C(N)C3CNCCO3)ccc21.
What is the InChIKey of (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine?
The InChIKey is DPJUWSCKLIDJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-8-16-10-6-9(2-3-11(10)17)13(14)12-7-15-4-5-18-12/h2-3,6,8,12-13,15H,4-5,7,14H2,1H3.
What are the key properties of (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine?
(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine has a molecular weight of 246.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine is sourced from PubChem (CID 116941045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).