N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline

C18H19ClN4O — CID 71543431

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
SMILESClc1ccc2nc(CNc3ccc(N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H19ClN4O/c19-13-1-6-16-17(11-13)22-18(21-16)12-20-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11,20H,7-10,12H2,(H,21,22)
InChIKeySPELKNDBXAEVNE-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.66
Rot. Bonds4

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline (PubChem CID 71543431) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
PubChem CID71543431
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
SMILESClc1ccc2nc(CNc3ccc(N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H19ClN4O/c19-13-1-6-16-17(11-13)22-18(21-16)12-20-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11,20H,7-10,12H2,(H,21,22)
InChIKeySPELKNDBXAEVNE-UHFFFAOYSA-N
XLogP3.66
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 154238951
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-7-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 68621837
1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 162189422
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
CID 139985105
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
CID 96680191
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-1H-quinolin-2-one
CID 136599664
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-amine
CID 174489954
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141079632

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline (CID 71543431) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline is Clc1ccc2nc(CNc3ccc(N4CCOCC4)cc3)[nH]c2c1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is SPELKNDBXAEVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-13-1-6-16-17(11-13)22-18(21-16)12-20-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11,20H,7-10,12H2,(H,21,22).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 342.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 71543431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).