N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide

C22H21N5O3 — CID 35669369

IUPACN-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H21N5O3/c28-21(19-9-4-12-30-19)25-16-6-3-5-15(13-16)14-24-22(29)23-11-10-20-26-17-7-1-2-8-18(17)27-20/h1-9,12-13H,10-11,14H2,(H,25,28)(H,26,27)(H2,23,24,29)
InChIKeyFZYWEMMZISMRFQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.45
Rot. Bonds7

About N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide

N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 35669369) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID35669369
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H21N5O3/c28-21(19-9-4-12-30-19)25-16-6-3-5-15(13-16)14-24-22(29)23-11-10-20-26-17-7-1-2-8-18(17)27-20/h1-9,12-13H,10-11,14H2,(H,25,28)(H,26,27)(H2,23,24,29)
InChIKeyFZYWEMMZISMRFQ-UHFFFAOYSA-N
XLogP3.45
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
CID 59018321
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
CID 3844150
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[3-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 47090500
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111134401
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5295246
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 24612843

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide (CID 35669369) is N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)NCc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is FZYWEMMZISMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-21(19-9-4-12-30-19)25-16-6-3-5-15(13-16)14-24-22(29)23-11-10-20-26-17-7-1-2-8-18(17)27-20/h1-9,12-13H,10-11,14H2,(H,25,28)(H,26,27)(H2,23,24,29).
What are the key properties of N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 35669369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).