N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide

C19H20FN5O2 — CID 166261890

IUPACN-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
SMILESNCc1nc2ccc(NC(=O)c3ccc(N4CCOCC4)c(F)c3)cc2[nH]1
InChIInChI=1S/C19H20FN5O2/c20-14-9-12(1-4-17(14)25-5-7-27-8-6-25)19(26)22-13-2-3-15-16(10-13)24-18(11-21)23-15/h1-4,9-10H,5-8,11,21H2,(H,22,26)(H,23,24)
InChIKeyYBUYXUPWFHTHJD-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide

N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide (PubChem CID 166261890) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
PubChem CID166261890
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
SMILESNCc1nc2ccc(NC(=O)c3ccc(N4CCOCC4)c(F)c3)cc2[nH]1
InChIInChI=1S/C19H20FN5O2/c20-14-9-12(1-4-17(14)25-5-7-27-8-6-25)19(26)22-13-2-3-15-16(10-13)24-18(11-21)23-15/h1-4,9-10H,5-8,11,21H2,(H,22,26)(H,23,24)
InChIKeyYBUYXUPWFHTHJD-UHFFFAOYSA-N
XLogP2.25
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 60604198
2-chloro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47838444
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 47799919
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 139007780
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 154836812
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide
CID 166370793
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide (CID 166261890) is N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide is NCc1nc2ccc(NC(=O)c3ccc(N4CCOCC4)c(F)c3)cc2[nH]1.
What is the InChIKey of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide?
The InChIKey is YBUYXUPWFHTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-14-9-12(1-4-17(14)25-5-7-27-8-6-25)19(26)22-13-2-3-15-16(10-13)24-18(11-21)23-15/h1-4,9-10H,5-8,11,21H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide?
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide has a molecular weight of 369.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 166261890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).